SCHEMBL490570

SCHEMBL490570

CC(C)(C)OC(=O)N[C@@H](CC(C1CCCC1)N(Cc1ccccc1)c1ccc(Br)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.47
PPARA Q07869 5/20 0.43
PPARG P37231 4/20 0.43
MAPK1 P28482 1/20 0.42
ACE P12821 2/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 2/20 0.41
KMT2A Q03164 3/20 0.41
ATM Q13315 2/20 0.40
MEN1 O00255 1/20 0.40
PPARD Q03181 2/20 0.39
AKT1 P31749 1/20 0.39
REN P00797 1/20 0.39
CTSB P07858 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL490466 0.85 MAPK1 (0.38) PPARAPPARGMAPK1ACEKMT2A
SCHEMBL490585 0.75 CACNA1B (0.48) CACNA1BPPARAPPARGMAPK1ACE
SCHEMBL3603293 0.75 PPARA (0.48) CACNA1BPPARAPPARGACECTSS
SCHEMBL490569 0.74 CACNA1B (0.55) CACNA1BMAPK1ACECTSSCTSK
SCHEMBL11374461 0.70 ACE (0.62) PPARAPPARGMAPK1ACECTSS
SCHEMBL11512962 0.70 ACE (0.62) PPARAPPARGMAPK1ACECTSS
SCHEMBL4215161 0.70 CTSK (0.47) CACNA1BPPARAPPARGMAPK1ACE
SCHEMBL375864 0.70 CTSK (0.47) CACNA1BPPARAPPARGMAPK1ACE
SCHEMBL376195 0.70 CTSK (0.47) CACNA1BPPARAPPARGMAPK1ACE
SCHEMBL376032 0.70 CTSK (0.47) CACNA1BPPARAPPARGMAPK1ACE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase IKBKB, IKBKE, CHUK CACNA1B 2344/4885PPARA 3915/4885PPARG 4032/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.